BDBM50051872 (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,6,7-trihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::2,6,7-trihydroxy-5-[3-(2-methyl-1-methylcarbonyloxy-3-phenylpropyl)-3-butenyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid::CHEMBL418767

SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O

InChI Key InChIKey=RUIMBWGGEYKRPS-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50051872   

TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051872(2,6,7-trihydroxy-5-[3-(2-methyl-1-methylcarbonylox...)
Affinity DataIC50: 26nMAssay Description:In vitro inhibitory activity against Squalene synthase from ratsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051872(2,6,7-trihydroxy-5-[3-(2-methyl-1-methylcarbonylox...)
Affinity DataIC50: 26nMAssay Description:Inhibitory concentration against mammalian Squalene synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article

TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051872(2,6,7-trihydroxy-5-[3-(2-methyl-1-methylcarbonylox...)
Affinity DataIC50: 6nMAssay Description:Inhibition of rat liver squalene synthase(SQS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051872(2,6,7-trihydroxy-5-[3-(2-methyl-1-methylcarbonylox...)
Affinity DataIC50: 6nMAssay Description:In vitro inhibitory concentration against squalene synthase from male rat liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article

TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051872(2,6,7-trihydroxy-5-[3-(2-methyl-1-methylcarbonylox...)
Affinity DataIC50: 6nMAssay Description:In vitro inhibitory activity measured against rat squalene synthase(SQS) enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article